N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-4-methyl-3-nitro-benzamide

Systemtic Name: N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-4-methyl-3-nitro-benzamide Openeye Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-4-methyl-3-nitro-benzamide CAS Name: N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-4-methyl-3-nitrobenzamide IUPAC Name: N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-methyl-3-nitrobenzamide Traditional Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-4-methyl-3-nitro-benzamide Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H15N3O3S/c1-4-12-10(3)23-16(13(12)8-17)18-15(20)11-6-5-9(2)14(7-11)19(21)22/h5-7H,4H2,1-3H3,(H,18,20)